N-[[3-(butanoylamino)phenyl]carbamothioyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: 4-methoxy-3-nitro-N-[[3-(1-oxobutylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[(3-butyramidophenyl)thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C19H20N4O5S MolecularWeight: 416.4509

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O5S/c1-3-5-17(24)20-13-6-4-7-14(11-13)21-19(29)22-18(25)12-8-9-16(28-2)15(10-12)23(26)27/h4,6-11H,3,5H2,1-2H3,(H,20,24)(H2,21,22,25,29)